(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-oxidanylcyclobutane-1-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-oxidanylcyclobutane-1-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-hydroxycyclobutanecarboxylate CAS Name: 1-hydroxy-1-cyclobutanecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 1-hydroxycyclobutane-1-carboxylate Traditional Name: 1-hydroxycyclobutanecarboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2(CCC2)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2(CCC2)O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3/c1-12-14(10-18)15(11-23-16(21)17(22)8-5-9-17)20(19-12)13-6-3-2-4-7-13/h2-4,6-7,22H,5,8-9,11H2,1H3